2-[(2-bromobenzoyl)-propylamino]acetic acid

C12H14BrNO3 — CID 61011660

IUPAC2-[(2-bromobenzoyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1ccccc1Br
InChIInChI=1S/C12H14BrNO3/c1-2-7-14(8-11(15)16)12(17)9-5-3-4-6-10(9)13/h3-6H,2,7-8H2,1H3,(H,15,16)
InChIKeyBSUWVYCUKCYRLC-UHFFFAOYSA-N
MW300.15 g/mol
LogP2.39
Rot. Bonds5

About 2-[(2-bromobenzoyl)-propylamino]acetic acid

2-[(2-bromobenzoyl)-propylamino]acetic acid (PubChem CID 61011660) has the molecular formula C12H14BrNO3 and a molecular weight of 300.15 g/mol. Its IUPAC name is 2-[(2-bromobenzoyl)-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-bromobenzoyl)-propylamino]acetic acid
PubChem CID61011660
Molecular FormulaC12H14BrNO3
Molecular Weight300.15 g/mol
Exact Mass299.02
IUPAC Name2-[(2-bromobenzoyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1ccccc1Br
InChIInChI=1S/C12H14BrNO3/c1-2-7-14(8-11(15)16)12(17)9-5-3-4-6-10(9)13/h3-6H,2,7-8H2,1H3,(H,15,16)
InChIKeyBSUWVYCUKCYRLC-UHFFFAOYSA-N
XLogP2.39
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-bromobenzoyl)-(carboxymethyl)amino]acetic acid
CID 63649912
2-bromo-N,N-dibutylbenzamide
CID 2843235
2-bromo-N-(cyclopropylmethyl)-N-propylbenzamide
CID 60637824
2-bromo-N-propyl-N-prop-2-ynylbenzamide
CID 78971034
2-[benzoyl(propyl)amino]acetic acid
CID 61011930
2-[(2-iodo-3-methylbenzoyl)-propylamino]acetic acid
CID 113263220
2-[(2-nitrobenzoyl)-propylamino]acetic acid
CID 61012063
2-bromo-N-butyl-N-ethylbenzamide
CID 2164030
2-[(2-oxo-1H-pyridine-3-carbonyl)-propylamino]acetic acid
CID 54898998
2-bromo-N-dodecyl-N-ethylbenzamide
CID 91728318
2-[3-(2-bromophenyl)propanoyl-propylamino]acetic acid
CID 119204843
2-[(2-amino-4-bromobenzoyl)-propylamino]acetic acid
CID 79721744

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromobenzoyl)-propylamino]acetic acid?
The IUPAC name of 2-[(2-bromobenzoyl)-propylamino]acetic acid (CID 61011660) is 2-[(2-bromobenzoyl)-propylamino]acetic acid.
What is the SMILES notation for 2-[(2-bromobenzoyl)-propylamino]acetic acid?
The canonical SMILES for 2-[(2-bromobenzoyl)-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)c1ccccc1Br.
What is the InChIKey of 2-[(2-bromobenzoyl)-propylamino]acetic acid?
The InChIKey is BSUWVYCUKCYRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO3/c1-2-7-14(8-11(15)16)12(17)9-5-3-4-6-10(9)13/h3-6H,2,7-8H2,1H3,(H,15,16).
What are the key properties of 2-[(2-bromobenzoyl)-propylamino]acetic acid?
2-[(2-bromobenzoyl)-propylamino]acetic acid has a molecular weight of 300.15 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromobenzoyl)-propylamino]acetic acid is sourced from PubChem (CID 61011660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).